Predicted protein targets (top 18)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | P2RX7 | Q99572 | 1/20 | 0.40 |
| ▸ | WDR5 | P61964 | 8/20 | 0.40 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.35 |
| ▸ | MAPT | P10636 | 2/20 | 0.34 |
| ▸ | MAOB | P27338 | 2/20 | 0.34 |
| ▸ | MAPK3 | P27361 | 1/20 | 0.34 |
| ▸ | MAPK1 | P28482 | 1/20 | 0.34 |
| ▸ | TACR1 | P25103 | 1/20 | 0.34 |
| ▸ | MEN1 | O00255 | 1/20 | 0.34 |
| ▸ | PLA2G1B | P04054 | 1/20 | 0.34 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.34 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.34 |
| ▸ | GAA | P10253 | 1/20 | 0.34 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.34 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.34 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.34 |
| ▸ | TDP1 | Q9NUW8 | 1/20 | 0.34 |
| ▸ | ATG4B | Q9Y4P1 | 1/20 | 0.34 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL3240465 | 0.87 | ROCK2 (0.36) | WDR5ROCK1MAOB | |
| SCHEMBL13673371 | 0.87 | MAOB (0.42) | MAPTMAOB | |
| SCHEMBL3242282 | 0.86 | MAOB (0.48) | P2RX7WDR5ROCK1MAOBMAPK1 | |
| SCHEMBL3241322 | 0.85 | MAOB (0.45) | WDR5ROCK1MAOBMAPK1 | |
| SCHEMBL3232868 | 0.83 | PDE2A (0.48) | P2RX7 | |
| SCHEMBL3247187 | 0.81 | KLKB1 (0.48) | MAPTCYP3A4GAA | |
| SCHEMBL3243700 | 0.80 | EPHX2 (0.44) | MAPK1CYP1A2CYP3A4GAACYP2D6 | |
| SCHEMBL3242363 | 0.78 | ROCK1 (0.51) | ROCK1MAPTMAPK1 | |
| SCHEMBL3247205 | 0.76 | HSD17B13 (0.52) | — | |
| SCHEMBL1114271 | 0.76 | HDAC1 (0.39) | WDR5ROCK1MAPTMAOBTACR1 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2009131956-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | claimed |
| US-20090264471-A1 | Compounds, Compositions and Methods Comprising Triazole Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | claimed |
| US-20100144733-A1 | Compounds, compositions and methods comprising heteroaromatic derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2010-06-10 | — | — | US | disclosed |
| US-20100144733-A1 | Compounds, compositions and methods comprising heteroaromatic derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2010-06-10 | — | — | US | disclosed |
| US-20100144733-A1 | Compounds, compositions and methods comprising heteroaromatic derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2010-06-10 | — | — | US | disclosed |
| US-20090318429-A1 | Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-12-24 | — | — | US | disclosed |
| US-20090318429-A1 | Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-12-24 | — | — | US | disclosed |
| US-20090318429-A1 | Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-12-24 | — | — | US | disclosed |
| WO-2009131956-A1 | COMPOUNDS, COMPOSITIONS AND METHODS COMPRISING TRIAZOLE DERIVATIVES | INSTITUTE FOR ONEWORLD HEALTH (US) | 2009-10-29 | — | — | WO | disclosed |
| US-20090264471-A1 | Compounds, Compositions and Methods Comprising Triazole Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | disclosed |
| US-20090264471-A1 | Compounds, Compositions and Methods Comprising Triazole Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | disclosed |
| US-20090264471-A1 | Compounds, Compositions and Methods Comprising Triazole Derivatives | INSTITUTE FOR ONEWORLD HEALTH | 2009-10-22 | — | — | US | disclosed |
Patent text — is the patent's own abstract consistent with the prediction?
For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20100144733-A1 | Compounds, compositions and methods comprising heteroaromatic derivatives | CFTR, PKD1, PKD2 | P2RX7 449/4885WDR5 3938/4885ROCK1 2801/4885 |
| US-20090318429-A1 | Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives | CFTR, PKD1, PKD2 | P2RX7 449/4885WDR5 3938/4885ROCK1 2801/4885 |
| US-20090264471-A1 | Compounds, Compositions and Methods Comprising Triazole Derivatives | CFTR, PKD1, PKD2 | P2RX7 327/4885WDR5 2290/4885ROCK1 1868/4885 |
“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.